N-[1-[4-(1-oxo-8-phenyl-2H-[1,2,4]triazolo[4,3-a][1,5]naphthyridin-7-yl)phenyl]cyclobutyl]pyridine-2-sulfonamide

C30H24N6O3S — CID 67094159

IUPACN-[1-[4-(1-oxo-8-phenyl-2H-[1,2,4]triazolo[4,3-a][1,5]naphthyridin-7-yl)phenyl]cyclobutyl]pyridine-2-sulfonamide
SMILESO=c1[nH]nc2ccc3nc(-c4ccc(C5(NS(=O)(=O)c6ccccn6)CCC5)cc4)c(-c4ccccc4)cc3n12
InChIInChI=1S/C30H24N6O3S/c37-29-34-33-26-15-14-24-25(36(26)29)19-23(20-7-2-1-3-8-20)28(32-24)21-10-12-22(13-11-21)30(16-6-17-30)35-40(38,39)27-9-4-5-18-31-27/h1-5,7-15,18-19,35H,6,16-17H2,(H,34,37)
InChIKeyJDMYFPPETFKHDY-UHFFFAOYSA-N
MW548.63 g/mol
LogP4.66
Rot. Bonds6

About N-[1-[4-(1-oxo-8-phenyl-2H-[1,2,4]triazolo[4,3-a][1,5]naphthyridin-7-yl)phenyl]cyclobutyl]pyridine-2-sulfonamide

N-[1-[4-(1-oxo-8-phenyl-2H-[1,2,4]triazolo[4,3-a][1,5]naphthyridin-7-yl)phenyl]cyclobutyl]pyridine-2-sulfonamide (PubChem CID 67094159) has the molecular formula C30H24N6O3S and a molecular weight of 548.63 g/mol. Its IUPAC name is N-[1-[4-(1-oxo-8-phenyl-2H-[1,2,4]triazolo[4,3-a][1,5]naphthyridin-7-yl)phenyl]cyclobutyl]pyridine-2-sulfonamide.

Molecular Properties

Compound NameN-[1-[4-(1-oxo-8-phenyl-2H-[1,2,4]triazolo[4,3-a][1,5]naphthyridin-7-yl)phenyl]cyclobutyl]pyridine-2-sulfonamide
PubChem CID67094159
Molecular FormulaC30H24N6O3S
Molecular Weight548.63 g/mol
Exact Mass548.16
IUPAC NameN-[1-[4-(1-oxo-8-phenyl-2H-[1,2,4]triazolo[4,3-a][1,5]naphthyridin-7-yl)phenyl]cyclobutyl]pyridine-2-sulfonamide
SMILESO=c1[nH]nc2ccc3nc(-c4ccc(C5(NS(=O)(=O)c6ccccn6)CCC5)cc4)c(-c4ccccc4)cc3n12
InChIInChI=1S/C30H24N6O3S/c37-29-34-33-26-15-14-24-25(36(26)29)19-23(20-7-2-1-3-8-20)28(32-24)21-10-12-22(13-11-21)30(16-6-17-30)35-40(38,39)27-9-4-5-18-31-27/h1-5,7-15,18-19,35H,6,16-17H2,(H,34,37)
InChIKeyJDMYFPPETFKHDY-UHFFFAOYSA-N
XLogP4.66
TPSA122.11 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms40
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500548.63
LogP ≤ 54.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze N-[1-[4-(1-oxo-8-phenyl-2H-[1,2,4]triazolo[4,3-a][1,5]naphthyridin-7-yl)phenyl]cyclobutyl]pyridine-2-sulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[1-[4-(1-oxo-8-phenyl-2H-[1,2,4]triazolo[4,3-a][1,5]naphthyridin-7-yl)phenyl]cyclobutyl]carbamic acid
CID 67094107
1-[4-(1-methyl-8-phenyl-[1,2,4]triazolo[4,3-a][1,5]naphthyridin-7-yl)phenyl]cyclobutan-1-amine
CID 44548388
7-[4-(1-aminocyclobutyl)phenyl]-8-phenyl-[1,2,4]triazolo[4,3-a][1,5]naphthyridine-1-carboxamide
CID 44549015
1-[4-[1-(5-cyclopropyl-1H-pyrazol-3-yl)-8-phenyl-[1,2,4]triazolo[4,3-a][1,5]naphthyridin-7-yl]phenyl]cyclobutan-1-amine
CID 44548716
1-[4-(8-phenyl-1-pyridazin-4-yl-[1,2,4]triazolo[4,3-a][1,5]naphthyridin-7-yl)phenyl]cyclobutan-1-amine
CID 44547298
8-[4-[1-[[(E)-4-fluoronon-2-en-8-ynyl]amino]cyclobutyl]phenyl]-9-phenyl-2H-[1,2,4]triazolo[3,4-f][1,6]naphthyridin-3-one
CID 137357014
[1-[4-[6-(2-benzyl-1H-pyrazol-2-ium-4-yl)-3-phenyl-1,7-naphthyridin-2-yl]phenyl]cyclobutyl]azanium dichloride
CID 87232426
3-amino-3-[4-[1-(difluoromethyl)-8-phenyl-[1,2,4]triazolo[4,3-a][1,5]naphthyridin-7-yl]phenyl]-1-methylcyclobutan-1-ol
CID 44547442
[1-[4-(6-chloro-3-phenyl-1,5-naphthyridin-2-yl)phenyl]cyclobutyl] N-tert-butylcarbamate
CID 90763311
1-[4-[6-(1-amino-3-iminopropan-2-yl)-3-phenyl-1,5-naphthyridin-2-yl]phenyl]cyclobutan-1-amine
CID 89044335
N-[(2R)-1-oxo-1-[(2S)-2-[[1-[4-(3-oxo-9-phenyl-2H-[1,2,4]triazolo[3,4-f][1,6]naphthyridin-8-yl)phenyl]cyclobutyl]carbamoyl]pyrrolidin-1-yl]propan-2-yl]pyridine-4-carboxamide
CID 129101660
3-[7-[4-(1-amino-3-hydroxy-3-methylcyclobutyl)phenyl]-8-phenyl-[1,2,4]triazolo[4,3-a][1,5]naphthyridin-1-yl]phenol
CID 44547441

Frequently Asked Questions

What is the IUPAC name of N-[1-[4-(1-oxo-8-phenyl-2H-[1,2,4]triazolo[4,3-a][1,5]naphthyridin-7-yl)phenyl]cyclobutyl]pyridine-2-sulfonamide?
The IUPAC name of N-[1-[4-(1-oxo-8-phenyl-2H-[1,2,4]triazolo[4,3-a][1,5]naphthyridin-7-yl)phenyl]cyclobutyl]pyridine-2-sulfonamide (CID 67094159) is N-[1-[4-(1-oxo-8-phenyl-2H-[1,2,4]triazolo[4,3-a][1,5]naphthyridin-7-yl)phenyl]cyclobutyl]pyridine-2-sulfonamide.
What is the SMILES notation for N-[1-[4-(1-oxo-8-phenyl-2H-[1,2,4]triazolo[4,3-a][1,5]naphthyridin-7-yl)phenyl]cyclobutyl]pyridine-2-sulfonamide?
The canonical SMILES for N-[1-[4-(1-oxo-8-phenyl-2H-[1,2,4]triazolo[4,3-a][1,5]naphthyridin-7-yl)phenyl]cyclobutyl]pyridine-2-sulfonamide is O=c1[nH]nc2ccc3nc(-c4ccc(C5(NS(=O)(=O)c6ccccn6)CCC5)cc4)c(-c4ccccc4)cc3n12.
What is the InChIKey of N-[1-[4-(1-oxo-8-phenyl-2H-[1,2,4]triazolo[4,3-a][1,5]naphthyridin-7-yl)phenyl]cyclobutyl]pyridine-2-sulfonamide?
The InChIKey is JDMYFPPETFKHDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H24N6O3S/c37-29-34-33-26-15-14-24-25(36(26)29)19-23(20-7-2-1-3-8-20)28(32-24)21-10-12-22(13-11-21)30(16-6-17-30)35-40(38,39)27-9-4-5-18-31-27/h1-5,7-15,18-19,35H,6,16-17H2,(H,34,37).
What are the key properties of N-[1-[4-(1-oxo-8-phenyl-2H-[1,2,4]triazolo[4,3-a][1,5]naphthyridin-7-yl)phenyl]cyclobutyl]pyridine-2-sulfonamide?
N-[1-[4-(1-oxo-8-phenyl-2H-[1,2,4]triazolo[4,3-a][1,5]naphthyridin-7-yl)phenyl]cyclobutyl]pyridine-2-sulfonamide has a molecular weight of 548.63 g/mol, XLogP of 4.66, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[4-(1-oxo-8-phenyl-2H-[1,2,4]triazolo[4,3-a][1,5]naphthyridin-7-yl)phenyl]cyclobutyl]pyridine-2-sulfonamide is sourced from PubChem (CID 67094159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).